SCHEMBL17699004

SCHEMBL17699004

COC(=O)/C=C/C(=O)OCC(COC(=O)/C=C/C(=O)O)OC(=O)/C=C/C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.59
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GFPT1 Q06210 1/20 0.38
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17699005 1.00 HCAR2 (0.59) HCAR2KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL15824042 0.93 HCAR2 (0.52) HCAR2KEAP1NFE2L2TDP1GFPT1
SCHEMBL15824044 0.93 HCAR2 (0.52) HCAR2KEAP1NFE2L2TDP1GFPT1
SCHEMBL15824045 0.93 HCAR2 (0.52) HCAR2KEAP1NFE2L2TDP1GFPT1
SCHEMBL19048786 0.91 HCAR2 (0.52) HCAR2ATM
SCHEMBL18475972 0.85 HCAR2 (0.42) HCAR2KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL17048419 0.84 HCAR2 (0.46) HCAR2KEAP1NFE2L2
SCHEMBL17048322 0.84 HCAR2 (0.46) HCAR2KEAP1NFE2L2
SCHEMBL17955615 0.84 HCAR2 (0.46) HCAR2KEAP1NFE2L2MAPTTDP1
SCHEMBL17048418 0.84 HCAR2 (0.46) HCAR2KEAP1NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212626-B1 THREE COMPONENT SALTS OF FUMARIC ACID MONOMETHYL ESTER WITH PIPERAZINE OR ETHYLENE DIAMINE FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LTD (IN) 2018-11-07 EP disclosed
EP-3212626-A1 THREE COMPONENT SALTS OF FUMARIC ACID MONOMETHYL ESTER WITH PIPERAZINE OR ETHYLENE DIAMINE FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2017-09-06 EP disclosed
US-9725404-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-08-08 US disclosed
US-9725404-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-08-08 US disclosed
US-9725404-B2 Compositions and methods for the treatment of multiple sclerosis CELLIX BIO PRIVATE LIMITED (IN) 2017-08-08 US disclosed
WO-2016098119-A1 THREE COMPONENT SALTS OF FUMARIC ACID MONOMETHYL ESTER WITH PIPERAZINE OR ETHYLENE DIAMINE FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-06-23 WO disclosed
WO-2016098119-A1 THREE COMPONENT SALTS OF FUMARIC ACID MONOMETHYL ESTER WITH PIPERAZINE OR ETHYLENE DIAMINE FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-06-23 WO disclosed
US-20160115115-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-04-28 US disclosed
US-20160115115-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-04-28 US disclosed
US-20160115115-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS CELLIX BIO PRIVATE LIMITED (IN) 2016-04-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160115115-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MULTIPLE SCLEROSIS HLA-DRB1, PMP22, SI HCAR2 872/4885KEAP1 1652/4885NFE2L2 1405/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.